(2S,4R)-2-methyl-4-phenylthiane
TL;DR: (2S,4R)-2-methyl-4-phenylthiane (CAS 76097-72-8) is a chemical compound with molecular formula C12H16S and molecular weight 192.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4R)-2-methyl-4-phenylthiane
Also Known As: (2S,4R)-2-methyl-4-phenylthiane, 2H-Thiopyran, tetrahydro-2-methyl-4-phenyl-, trans-, 2H-Thiopyran,tetrahydro-2-methyl-4-pentyl-,trans
| Molecular Formula | C12H16S |
|---|---|
| Molecular Weight | 192.10 g/mol |
| LogP | 3.6857 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.09727 |
| Heavy Atoms | 13 |
| Complexity | 255.0868 |
Chemical Identifiers
| CAS Number | 76097-72-8 |
|---|---|
| SMILES | C[C@H]1C[C@@H](CCS1)C2=CC=CC=C2 |
Product Overview
(2S,4R)-2-methyl-4-phenylthiane (CAS 76097-72-8), with molecular formula C12H16S and molecular weight 192.10 g/mol. IUPAC: (2S,4R)-2-methyl-4-phenylthiane.
Chemical Property Profile of (2S,4R)-2-methyl-4-phenylthiane
Property Insights of (2S,4R)-2-methyl-4-phenylthiane
The XLogP value of 3.6857 indicates that (2S,4R)-2-methyl-4-phenylthiane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (2S,4R)-2-methyl-4-phenylthiane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,4R)-2-methyl-4-phenylthiane has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2S,4R)-2-methyl-4-phenylthiane?
The CAS number of (2S,4R)-2-methyl-4-phenylthiane is 76097-72-8.
What is the molecular formula of (2S,4R)-2-methyl-4-phenylthiane?
The molecular formula of (2S,4R)-2-methyl-4-phenylthiane is C12H16S.
What is the molecular weight of (2S,4R)-2-methyl-4-phenylthiane?
The molecular weight of (2S,4R)-2-methyl-4-phenylthiane is 192.10 g/mol.
Where can I buy (2S,4R)-2-methyl-4-phenylthiane?
You can request a quote for (2S,4R)-2-methyl-4-phenylthiane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,4R)-2-methyl-4-phenylthiane?
Yes, KEHONG BIO provides custom synthesis services for (2S,4R)-2-methyl-4-phenylthiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.